3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide

C13H15N3O3 — CID 54879111

IUPAC3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C13H15N3O3/c1-15(2)10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13(16)19/h3-5H,6-7,14H2,1-2H3
InChIKeyDBSRKGQLFPECKA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.34
Rot. Bonds3

About 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide

3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide (PubChem CID 54879111) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide
PubChem CID54879111
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C13H15N3O3/c1-15(2)10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13(16)19/h3-5H,6-7,14H2,1-2H3
InChIKeyDBSRKGQLFPECKA-UHFFFAOYSA-N
XLogP0.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 19363369
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propanoic acid
CID 119208715
4-amino-2-[5-(1,3-dioxolan-2-yl)pentyl]isoindole-1,3-dione;hydrochloride
CID 70296532
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265
4-amino-2-(3-pyrazol-1-ylpropyl)isoindole-1,3-dione
CID 115582329
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
4-amino-2-[(2-methylcyclopentyl)methyl]isoindole-1,3-dione
CID 107419036
N-[2-(4-amino-1,3-dioxoisoindol-2-yl)acetyl]-2-hydroxybutanamide
CID 89174603
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide (CID 54879111) is 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide?
The InChIKey is DBSRKGQLFPECKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15(2)10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13(16)19/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide?
3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide has a molecular weight of 261.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3-dioxoisoindol-2-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).